CONVERGENCE PROPERTIES OF DIRECT METHODS OF ENERGY MINIMIZATION WITH RESPECT TO LINEAR COEFFICIENTS IN LCAO-MO-SCF APPROACH

[1] NEW ITERATIVE METHODS FOR SOLUTION OF EIGENPROBLEM [J]. NUMERISCHE MATHEMATIK, 1966, 9 (03) : 259 - &

[2] COMPARISON OF MINIMIZATION PROCEDURES FOR UHF WAVE FUNCTIONS [J]. THEORETICA CHIMICA ACTA, 1971, 22 (04): : 399 - &

[3] Dixon L., 1972, MATH PROGRAM, V2, P383, DOI DOI 10.1007/BF01584554

[4] OPTIMIZATION OF SCF LCAO WAVE FUNCTIONS [J]. MOLECULAR PHYSICS, 1970, 19 (01) : 55 - &

[5] FUNCTION MINIMIZATION BY CONJUGATE GRADIENTS [J]. COMPUTER JOURNAL, 1964, 7 (02) : 149 - &

[6] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[7] AB-INITIO MOLECULAR ORBITAL CALCULATIONS OF GROUND AND EXCITED STATES OF PERMANGANATE AND CHROMATE IONS [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 320 (1541): : 161 - &

[8] Huang H. Y., 1970, Journal of Optimization Theory and Applications, V5, P405, DOI 10.1007/BF00927440

[9] Direct minimisation of the energy functional in some open-shell LCAO calculations on atoms [J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 149 - 152

[10] DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO CALCULATIONS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) : 459 - 473

[1] NEW ITERATIVE METHODS FOR SOLUTION OF EIGENPROBLEM [J]. NUMERISCHE MATHEMATIK, 1966, 9 (03) : 259 - &

[2] COMPARISON OF MINIMIZATION PROCEDURES FOR UHF WAVE FUNCTIONS [J]. THEORETICA CHIMICA ACTA, 1971, 22 (04): : 399 - &

[3] Dixon L., 1972, MATH PROGRAM, V2, P383, DOI DOI 10.1007/BF01584554

[4] OPTIMIZATION OF SCF LCAO WAVE FUNCTIONS [J]. MOLECULAR PHYSICS, 1970, 19 (01) : 55 - &

[5] FUNCTION MINIMIZATION BY CONJUGATE GRADIENTS [J]. COMPUTER JOURNAL, 1964, 7 (02) : 149 - &

[6] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[7] AB-INITIO MOLECULAR ORBITAL CALCULATIONS OF GROUND AND EXCITED STATES OF PERMANGANATE AND CHROMATE IONS [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 320 (1541): : 161 - &

[8] Huang H. Y., 1970, Journal of Optimization Theory and Applications, V5, P405, DOI 10.1007/BF00927440

[9] Direct minimisation of the energy functional in some open-shell LCAO calculations on atoms [J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (01) : 149 - 152

[10] DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO CALCULATIONS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) : 459 - 473